CHEMBL1185319 [26613]
CHEMBL1185319
| SMILES | Brc1ccc(C[N+]23CCC45c6ccccc6N6[C@@H]7OCC=C8C[N+]9(Cc%10ccc(Br)cc%10)CCC%10%11c%12ccccc%12N([C@@H]%12OCC=C(C2)[C@H](C[C@@H]43)[C@@H]%12[C@H]65)[C@H]%10[C@H]7[C@H]8C[C@@H]%119)cc1 |
| InChIKey | IPKLOQHQTQMRCV-JNGULWDMSA-N |
Chemical Properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 4 |
| Log P | 9.222 |
| Molecular weight (Da) | 922.2 |
| Stereochemistry info | partial |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
CHEMBL1185319
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0